N-[(2S,3S,4R)-1-azanyl-3,4-bis(oxidanyl)octadecan-2-yl]octanamide

Systemtic Name: N-[(2S,3S,4R)-1-azanyl-3,4-bis(oxidanyl)octadecan-2-yl]octanamide Openeye Name: N-[(1S,2S,3R)-1-(aminomethyl)-2,3-dihydroxy-heptadecyl]octanamide CAS Name: N-[(2S,3S,4R)-1-amino-3,4-dihydroxyoctadecan-2-yl]octanamide IUPAC Name: N-[(2S,3S,4R)-1-amino-3,4-dihydroxyoctadecan-2-yl]octanamide Traditional Name: N-[(1S,2S,3R)-1-(aminomethyl)-2,3-dihydroxy-heptadecyl]caprylamide Formula: C26H54N2O3 MolecularWeight: 442.71856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CN)NC(=O)CCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CN)NC(=O)CCCCCCC)O)O

InChI

InChI=1S/C26H54N2O3/c1-3-5-7-9-10-11-12-13-14-15-17-18-20-24(29)26(31)23(22-27)28-25(30)21-19-16-8-6-4-2/h23-24,26,29,31H,3-22,27H2,1-2H3,(H,28,30)/t23-,24+,26-/m0/s1